Carbon fixation of CO2 via cyclic reactions with borane in gaseous atmosphere leading to formic acid (and metaboric acid); A potential energy surface (PES) study

Carbon dioxide (CO 2 ), a stable gaseous species, occupies the troposphere layer of the atmosphere. Following it, the environment gets warmer, and the ecosystem changes as a consequence of disrupting the natural order of our life. Due to this, in the present reasearch, the possibility of carbon fixa...

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Bibliographic Details
Published in:Frontiers in chemistry 2022-10, Vol.10, p.1003086-1003086
Main Authors: Mohammadi, Marziyeh, Siadati, Seyyed Amir, Ahmadi, Sheida, Habibzadeh, Sepideh, Poor Heravi, Mohammad Reza, Hossaini, Zinatossadat, Vessally, Esmail
Format: Article
Language:English
Subjects:
atmospheric pollution
borane cycle
carbon dioxide
Chemistry
CO2 fixation
metaboric acid
reaction channels
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Summary:Carbon dioxide (CO 2 ), a stable gaseous species, occupies the troposphere layer of the atmosphere. Following it, the environment gets warmer, and the ecosystem changes as a consequence of disrupting the natural order of our life. Due to this, in the present reasearch, the possibility of carbon fixation of CO 2 by using borane was investigated. To conduct this, each of the probable reaction channels between borane and CO 2 was investigated to find the fate of this species. The results indicate that among all the channels, the least energetic path for the reaction is reactant complex (RC) to TS (A-1) to Int (A-1) to TS (A-D) to formic acid (and further meta boric acid production from the transformation of boric acid). It shows that use of gaseous borane might lead to controlling these dangerous greenhouse gases which are threatening the present form of life on Earth, our beautiful, fragile home.
ISSN:2296-2646
2296-2646
DOI:10.3389/fchem.2022.1003086